Sr2MgSc2ZnO8
Alexandria ALEXAlex-ID: agm011135948 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E8_100_spg1
SrSc2O4 Sr3O5 SrO3 MgO ZnO
2024-07-12 21:37:14.651873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011135948).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm011135948
data_agm011135948
_cell_length_a 6.68571
_cell_length_b 6.68571
_cell_length_c 5.62012
_cell_angle_alpha 89.18310
_cell_angle_beta 89.18310
_cell_angle_gamma 47.47879
_cell_volume 185.12794
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.13652 0.13652 0.51295 1.00000
Sr2 Sr 0.35850 0.35850 0.00179 1.00000
Mg1 Mg 0.99880 0.99880 0.98959 1.00000
Sc1 Sc 0.66176 0.66176 0.01603 1.00000
Sc2 Sc 0.84327 0.84327 0.50918 1.00000
Zn1 Zn 0.48871 0.48871 0.47488 1.00000
O1 O 0.32582 0.76849 0.20550 1.00000
O2 O 0.17557 0.73628 0.70054 1.00000
O3 O 0.73628 0.17557 0.70054 1.00000
O4 O 0.76849 0.32582 0.20550 1.00000
O5 O 0.32630 0.32630 0.43446 1.00000
O6 O 0.81725 0.81725 0.14399 1.00000
O7 O 0.69614 0.69614 0.65936 1.00000
O8 O 0.16674 0.16674 0.94566 1.00000
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